![CAS 2374782-82-6 (S)-6-[3-(4-Boc-1-piperazinyl)propoxy]-N-[2-(2-cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl]quinoline-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2374782-82-6.gif)
CAS RN: 2374782-82-6
(S)-6-[3-(4-Boc-1-piperazinyl)propoxy]-N-[2-(2-cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl]quinoline-4-carboxamide
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251025 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250420 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251109 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251114 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251211 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260118 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250831 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-115378
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.05g | -- | 5 In Stock | Beijing | Inquiry |
| 0.05g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 4 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 4 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
2374782-82-6 / tert-butyl 4-[3-[4-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazine-1-carboxylate
Basic Information
CAS
2374782-82-6
Multi CAS
No
Molecular Formula
C29H36F2N6O5
Molecular Weight
586.600000
Exact Mass
586.271525
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(CC4C#N)(F)F
InChI
InChI=1S/C29H36F2N6O5/c1-28(2,3)42-27(40)36-12-10-35(11-13-36)9-4-14-41-21-5-6-24-23(15-21)22(7-8-33-24)26(39)34-18-25(38)37-19-29(30,31)16-20(37)17-32/h5-8,15,20H,4,9-14,16,18-19H2,1-3H3,(H,34,39)
InChIKey
QTIJFSYOOZNQMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
149.11
TPSA
128.1
LogP / Solubility
WLOGP
3.05
MLOGP
2.73
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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